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Information card for entry 8101001
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| Coordinates | 8101001.cif |
|---|---|
| External links | PubChem |
| Formula | C11 H16 Fe N O8 |
|---|---|
| Calculated formula | C11 H16 Fe N O8 |
| Title of publication | Crystal structure of bis(R-(+)-1-phenylethylammonium) tetraaquatrioxolatodiferrate, [C~6~H~5~CH(CH~3~)NH~3~]~2~[Fe~2~(C~2~O~4~)~3~(H~2~O)~4~] |
| Authors of publication | Shan, Yongkui; Huang, Songping D. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 3 |
| Pages of publication | 373 - 374 |
| a | 11.0473 ± 0.0009 Å |
| b | 7.5605 ± 0.0006 Å |
| c | 17.162 ± 0.001 Å |
| α | 90° |
| β | 90.105 ± 0.002° |
| γ | 90° |
| Cell volume | 1433.4 ± 0.2 Å3 |
| Cell temperature | 296.7 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101001.cif |
| 198679 | 2017-07-12 | cif/8/10/10/ (antanas@echidna.ibt.lt) Marking atoms 'C(11)' and 'C(12)' as having full occupancies ('1.000') instead of partial ones ('0.500') in entry 8101001 after consulting the original publication. |
8101001.cif |
| 198678 | 2017-07-12 | cif/8/10/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 8100557, 8100565, 8100855, 8100858, 8100882, 8101001, 8101046, 8101252, 8101494. |
8101001.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101001.cif |
| 103187 | 2014-02-27 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101001.cif |
| 100679 | 2014-02-06 | cif/8/ (antanas@lokys.ibt.lt) Adding paper volume. |
8101001.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101001.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
8101001.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
8101001.cif |
| 39 | 2008-01-28 | 10 files with syntax errors are corrected. |
8101001.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
8101001.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101001.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
8101001.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
8101001.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.